3-[1-(3-ethoxyphenyl)ethylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one

C19H26N4O2 — CID 71870045

IUPAC3-[1-(3-ethoxyphenyl)ethylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCCOc1cccc(C(C)NC2CCCN(c3cnn(C)c3)C2=O)c1
InChIInChI=1S/C19H26N4O2/c1-4-25-17-8-5-7-15(11-17)14(2)21-18-9-6-10-23(19(18)24)16-12-20-22(3)13-16/h5,7-8,11-14,18,21H,4,6,9-10H2,1-3H3
InChIKeyMBWFKRHEVUUAHW-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.66
Rot. Bonds6

About 3-[1-(3-ethoxyphenyl)ethylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one

3-[1-(3-ethoxyphenyl)ethylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one (PubChem CID 71870045) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[1-(3-ethoxyphenyl)ethylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-[1-(3-ethoxyphenyl)ethylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
PubChem CID71870045
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-[1-(3-ethoxyphenyl)ethylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCCOc1cccc(C(C)NC2CCCN(c3cnn(C)c3)C2=O)c1
InChIInChI=1S/C19H26N4O2/c1-4-25-17-8-5-7-15(11-17)14(2)21-18-9-6-10-23(19(18)24)16-12-20-22(3)13-16/h5,7-8,11-14,18,21H,4,6,9-10H2,1-3H3
InChIKeyMBWFKRHEVUUAHW-UHFFFAOYSA-N
XLogP2.66
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-ethoxyphenyl)ethylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of 3-[1-(3-ethoxyphenyl)ethylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one (CID 71870045) is 3-[1-(3-ethoxyphenyl)ethylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for 3-[1-(3-ethoxyphenyl)ethylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for 3-[1-(3-ethoxyphenyl)ethylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one is CCOc1cccc(C(C)NC2CCCN(c3cnn(C)c3)C2=O)c1.
What is the InChIKey of 3-[1-(3-ethoxyphenyl)ethylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The InChIKey is MBWFKRHEVUUAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-25-17-8-5-7-15(11-17)14(2)21-18-9-6-10-23(19(18)24)16-12-20-22(3)13-16/h5,7-8,11-14,18,21H,4,6,9-10H2,1-3H3.
What are the key properties of 3-[1-(3-ethoxyphenyl)ethylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
3-[1-(3-ethoxyphenyl)ethylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-ethoxyphenyl)ethylamino]-1-(1-methylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 71870045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).